1-[6-(2-amino-2-oxoethyl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-propylpiperidine-4-carboxamide

C16H22N6O3S — CID 53129111

IUPAC1-[6-(2-amino-2-oxoethyl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(c2nc3ncn(CC(N)=O)c(=O)c3s2)CC1
InChIInChI=1S/C16H22N6O3S/c1-2-5-18-14(24)10-3-6-21(7-4-10)16-20-13-12(26-16)15(25)22(9-19-13)8-11(17)23/h9-10H,2-8H2,1H3,(H2,17,23)(H,18,24)
InChIKeyVJHNYCSZOLBBNH-UHFFFAOYSA-N
MW378.46 g/mol
LogP0.08
Rot. Bonds6

About 1-[6-(2-amino-2-oxoethyl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-propylpiperidine-4-carboxamide

1-[6-(2-amino-2-oxoethyl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-propylpiperidine-4-carboxamide (PubChem CID 53129111) has the molecular formula C16H22N6O3S and a molecular weight of 378.46 g/mol. Its IUPAC name is 1-[6-(2-amino-2-oxoethyl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(2-amino-2-oxoethyl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-propylpiperidine-4-carboxamide
PubChem CID53129111
Molecular FormulaC16H22N6O3S
Molecular Weight378.46 g/mol
Exact Mass378.15
IUPAC Name1-[6-(2-amino-2-oxoethyl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(c2nc3ncn(CC(N)=O)c(=O)c3s2)CC1
InChIInChI=1S/C16H22N6O3S/c1-2-5-18-14(24)10-3-6-21(7-4-10)16-20-13-12(26-16)15(25)22(9-19-13)8-11(17)23/h9-10H,2-8H2,1H3,(H2,17,23)(H,18,24)
InChIKeyVJHNYCSZOLBBNH-UHFFFAOYSA-N
XLogP0.08
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-amino-2-oxoethyl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-propylpiperidine-4-carboxamide?
The IUPAC name of 1-[6-(2-amino-2-oxoethyl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-propylpiperidine-4-carboxamide (CID 53129111) is 1-[6-(2-amino-2-oxoethyl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(2-amino-2-oxoethyl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-[6-(2-amino-2-oxoethyl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-propylpiperidine-4-carboxamide is CCCNC(=O)C1CCN(c2nc3ncn(CC(N)=O)c(=O)c3s2)CC1.
What is the InChIKey of 1-[6-(2-amino-2-oxoethyl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-propylpiperidine-4-carboxamide?
The InChIKey is VJHNYCSZOLBBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O3S/c1-2-5-18-14(24)10-3-6-21(7-4-10)16-20-13-12(26-16)15(25)22(9-19-13)8-11(17)23/h9-10H,2-8H2,1H3,(H2,17,23)(H,18,24).
What are the key properties of 1-[6-(2-amino-2-oxoethyl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-propylpiperidine-4-carboxamide?
1-[6-(2-amino-2-oxoethyl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-propylpiperidine-4-carboxamide has a molecular weight of 378.46 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-amino-2-oxoethyl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 53129111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).